SMIRKS
[O:2]=[C:3]([N:4]([C:5]([C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])[H:28])[H:29]>>[H][N:4]([C:5]([C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])[H:28].[H]O[C:3](=[O:2])[H:29]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E347 - Reaction Operator E
[#6:4]-[#7:5](-[#6:6](=[#8:7])-[H:9])-[H:10]>>[#6:4]-[#7:5](-[H:10])-[H].[#6:6](=[#8:7])(-[#8]-[H])-[H:9]
EVODEX.1-N1405 - Reaction Operator N
[#8:2]=[#6:3](-[#7:4](-[#6:5])-[H:28])-[H:29]>>[H]-[#7:4](-[#6:5])-[H:28].[H]-[#8]-[#6:3](=[#8:2])-[H:29]
EVODEX.1-Em129 - Reaction Operator Em
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
EVODEX.1-Nm163 - Reaction Operator Nm
[#6:5]-[#7:6]-[#6:7]=[#8:8]>>[H]-[#7:6]-[#6:5].[H]-[#8]-[#6:7]=[#8:8]
Source Full Reactions
EVODEX.1-R6482
[O:2]=[C:3]([N:4]([C:5]([C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])[H:28])[H:29].[H][O:1][H:30]>>[H][N:4]([C:5]([C:6]([C:7]([C:8]1:[C:9]([H:17]):[C:10]([H:18]):[C:11]([H:19]):[C:12]([H:20]):[C:13]:1[H:21])([H:22])[H:23])([H:24])[H:25])([C:14](=[O:15])[O:16][H:26])[H:27])[H:28].[O:1]([C:3](=[O:2])[H:29])[H:30]